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(2S,6S,7R,8R,9R,E)-METHYL-6-ACETAMIDO-7,8,10-TRIS-(BENZYLOXY)-2-(TERT.-BUTOXYCABONYLAMINO)-9-HYDROXYDEC-4-ENOATE
SpectraBase Compound ID BwlirrHUXXm
InChI InChI=1S/C39H50N2O9/c1-28(42)40-32(22-15-23-33(37(44)46-5)41-38(45)50-39(2,3)4)35(48-25-30-18-11-7-12-19-30)36(49-26-31-20-13-8-14-21-31)34(43)27-47-24-29-16-9-6-10-17-29/h6-22,32-36,43H,23-27H2,1-5H3,(H,40,42)(H,41,45)/b22-15+/t32-,33-,34-,35-,36-/m0/s1
InChIKey YOFHWZJHKRKOGD-ODBZVPOLSA-N
Mol Weight 690.8 g/mol
Molecular Formula C39H50N2O9
Exact Mass 690.351631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LRQmMEGeuEG
Name (2S,6S,7R,8R,9R,E)-METHYL-6-ACETAMIDO-7,8,10-TRIS-(BENZYLOXY)-2-(TERT.-BUTOXYCABONYLAMINO)-9-HYDROXYDEC-4-ENOATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H50N2O9
InChI InChI=1S/C39H50N2O9/c1-28(42)40-32(22-15-23-33(37(44)46-5)41-38(45)50-39(2,3)4)35(48-25-30-18-11-7-12-19-30)36(49-26-31-20-13-8-14-21-31)34(43)27-47-24-29-16-9-6-10-17-29/h6-22,32-36,43H,23-27H2,1-5H3,(H,40,42)(H,41,45)/b22-15+/t32-,33-,34-,35-,36-/m0/s1
InChIKey YOFHWZJHKRKOGD-ODBZVPOLSA-N
Literature Reference Author E.G.NOLEN,A.J.KURISH,J.M.POTTER,L.A.DONAHUE,M.D.ORLANDO
Literature Reference Citation ORG.LETTERS,7,3383(2005)
Literature Reference DOI 10.1021/ol051341q
Molecular Weight 690.834 g/mol
Sample ID 57614
Solvent CDCl3